SCHEMBL7750816

SCHEMBL7750816

CCNC(=O)NCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.48
RNPEP Q9H4A4 2/20 0.48
DNPEP Q9ULA0 2/20 0.48
EPHX1 P07099 7/20 0.46
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.40
CNR1 P21554 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2824432 0.91 ANPEP (0.55) ANPEPRNPEPDNPEPEPHX1RAB9A
SCHEMBL11105386 0.84 EPHX1 (0.58) EPHX1SMN1; SMN2EPHX2
SCHEMBL26930838 0.83 EPHX1 (0.63) ANPEPRNPEPDNPEPEPHX1SMN1; SMN2
SCHEMBL10224058 0.82 EPHX1 (0.60) ANPEPRNPEPDNPEPEPHX1RAB9A
SCHEMBL11151073 0.80 ANPEP (0.47) ANPEPRNPEPDNPEPEPHX1RAB9A
SCHEMBL23173031 0.80 EPHX1 (0.52) EPHX1SMN1; SMN2EPHX2
SCHEMBL14521021 0.79 EPHX1 (0.73) EPHX1SMN1; SMN2EPHX2CNR1
SCHEMBL7751971 0.79 ANPEP (0.50) ANPEPRNPEPDNPEPEPHX1RAB9A
SCHEMBL15248051 0.78 CNR1 (0.51) ANPEPRNPEPDNPEPRAB9ASMN1; SMN2
SCHEMBL12787079 0.77 EPHX1 (0.57) ANPEPRNPEPDNPEPEPHX1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167105-A1 BCL-2 PROTEIN INHIBITORS RECURIUM IP HOLDINGS, LLC 2023-06-01 US disclosed
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
US-9516880-B2 Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG (DE) 2016-12-13 US disclosed
US-9516880-B2 Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG (DE) 2016-12-13 US disclosed
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-08-13 US disclosed
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-08-13 US disclosed
US-8933077-B2 Glucokinase activators ARRAY BIOPHARMA INC. (US) 2015-01-13 US disclosed
US-20100056530-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-03-04 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES CBR3, CYP3A7, PRDX3 ANPEP 2029/4885RNPEP 2345/4885DNPEP 2174/4885
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 ANPEP 292/4885RNPEP 413/4885DNPEP 520/4885
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 ANPEP 120/4885RNPEP 822/4885DNPEP 459/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 ANPEP 2320/4885RNPEP 1079/4885DNPEP 1122/4885
US-20230167105-A1 BCL-2 PROTEIN INHIBITORS BCL2, BCL2L1, BCL2L2 ANPEP 2925/4885RNPEP 2828/4885DNPEP 2208/4885
US-20100056530-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 ANPEP 3111/4885RNPEP 1401/4885DNPEP 1835/4885
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES CYP4X1, PRDX4, PRDX5 ANPEP 2324/4885RNPEP 2846/4885DNPEP 2817/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.